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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3,15-di-O-propionylbruceolide
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Accession:CHEBI:65533 term browser browse the term
Definition:A quassinoid that is the 3,15-di-O-propionyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
Synonyms:exact_synonym: methyl (11beta,12alpha,15beta)-11,12-dihydroxy-2,16-dioxo-3,15-bis(propanoyloxy)-13,20-epoxypicras-3-en-21-oate
 related_synonym: Formula=C27H34O12;   InChI=1S/C27H34O12/c1-6-15(29)38-18-11(3)12-8-14-26-10-36-27(24(34)35-5,21(26)19(23(33)37-14)39-16(30)7-2)22(32)17(31)20(26)25(12,4)9-13(18)28/h12,14,17,19-22,31-32H,6-10H2,1-5H3/t12-,14+,17+,19+,20+,21+,22-,25-,26+,27+/m0/s1;   InChIKey=UBTDOTATRXDQMG-LBRZTRGYSA-N;   SMILES=CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(OC(=O)CC)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC



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Term Annotations click to browse term
  CHEBI ontology 5059
    role 5022
      application 841
        fuel 14
          methanol 11
            methyl ester 11
              3,15-di-O-propionylbruceolide 0
Path 2
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  CHEBI ontology 5059
    subatomic particle 5050
      composite particle 5050
        hadron 5050
          baryon 5050
            nucleon 5050
              atomic nucleus 5050
                atom 5050
                  main group element atom 5017
                    p-block element atom 5014
                      carbon group element atom 4932
                        carbon atom 4931
                          organic molecular entity 4931
                            organic group 4647
                              organic divalent group 4645
                                organodiyl group 4645
                                  carbonyl group 4644
                                    carbonyl compound 4644
                                      carboxylic acid 335
                                        monocarboxylic acid 171
                                          fatty acid 94
                                            saturated fatty acid 81
                                              propionic acid 10
                                                propanoate ester 0
                                                  3,15-di-O-propionylbruceolide 0
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